3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chlorophenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C23H23ClF3N2O3+ MolecularWeight: 467.88853

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C23H22ClF3N2O3/c1-2-28-9-11-29(12-10-28)13-17-18(30)8-7-16-20(31)19(14-3-5-15(24)6-4-14)22(23(25,26)27)32-21(16)17/h3-8,30H,2,9-13H2,1H3/p+1